1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one

C11H21NO2 — CID 115235227

IUPAC1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one
SMILESCC(=O)CN(C)CCC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-10(13)9-12(2)6-3-11-4-7-14-8-5-11/h11H,3-9H2,1-2H3
InChIKeyPTDAUUOVLGWPFL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds5

About 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one

1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one (PubChem CID 115235227) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one
PubChem CID115235227
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one
SMILESCC(=O)CN(C)CCC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-10(13)9-12(2)6-3-11-4-7-14-8-5-11/h11H,3-9H2,1-2H3
InChIKeyPTDAUUOVLGWPFL-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115215246
methyl 4-[methyl-[2-(oxan-4-yl)ethyl]amino]butanoate
CID 115233530
2-[methyl(2-piperidin-4-ylethyl)amino]-N-(oxan-4-yl)acetamide
CID 66272158
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]butanoic acid
CID 115241885
3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115163624
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115155515
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115179520
N-(2-hydroxyethyl)-N-methyl-3-(oxan-4-yl)propanamide
CID 84578578
2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835931
3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide
CID 115185474
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
CID 115156830

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one?
The IUPAC name of 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one (CID 115235227) is 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one.
What is the SMILES notation for 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one?
The canonical SMILES for 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one is CC(=O)CN(C)CCC1CCOCC1.
What is the InChIKey of 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one?
The InChIKey is PTDAUUOVLGWPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(13)9-12(2)6-3-11-4-7-14-8-5-11/h11H,3-9H2,1-2H3.
What are the key properties of 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one?
1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one is sourced from PubChem (CID 115235227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).